1-methoxy-2H-1,3-diazecin-7-ol

C9H12N2O2 — CID 152767264

IUPAC1-methoxy-2H-1,3-diazecin-7-ol
SMILESCON1C=CC=C(O)C=CC=NC1
InChIInChI=1S/C9H12N2O2/c1-13-11-7-3-5-9(12)4-2-6-10-8-11/h2-7,12H,8H2,1H3
InChIKeyQFQGDGKUPKWGDP-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.40
Rot. Bonds1

About 1-methoxy-2H-1,3-diazecin-7-ol

1-methoxy-2H-1,3-diazecin-7-ol (PubChem CID 152767264) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 1-methoxy-2H-1,3-diazecin-7-ol.

Molecular Properties

Compound Name1-methoxy-2H-1,3-diazecin-7-ol
PubChem CID152767264
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name1-methoxy-2H-1,3-diazecin-7-ol
SMILESCON1C=CC=C(O)C=CC=NC1
InChIInChI=1S/C9H12N2O2/c1-13-11-7-3-5-9(12)4-2-6-10-8-11/h2-7,12H,8H2,1H3
InChIKeyQFQGDGKUPKWGDP-UHFFFAOYSA-N
XLogP1.40
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2H-1,3-diazecin-7-ol?
The IUPAC name of 1-methoxy-2H-1,3-diazecin-7-ol (CID 152767264) is 1-methoxy-2H-1,3-diazecin-7-ol.
What is the SMILES notation for 1-methoxy-2H-1,3-diazecin-7-ol?
The canonical SMILES for 1-methoxy-2H-1,3-diazecin-7-ol is CON1C=CC=C(O)C=CC=NC1.
What is the InChIKey of 1-methoxy-2H-1,3-diazecin-7-ol?
The InChIKey is QFQGDGKUPKWGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-13-11-7-3-5-9(12)4-2-6-10-8-11/h2-7,12H,8H2,1H3.
What are the key properties of 1-methoxy-2H-1,3-diazecin-7-ol?
1-methoxy-2H-1,3-diazecin-7-ol has a molecular weight of 180.21 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2H-1,3-diazecin-7-ol is sourced from PubChem (CID 152767264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).